SCHEMBL24233641

SCHEMBL24233641

COc1ccc(-c2nc(CO)c(N3CCC4(CCCO4)CC3)nc2C)c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.47
KCNH2 Q12809 2/20 0.43
EGFR P00533 1/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM4 P08173 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PLAU P00749 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23425262 0.86 PTPN11 (0.51) PTPN11KCNH2EGFRCHRM4PLAU
SCHEMBL24233691 0.82 PTPN11 (0.50) PTPN11KCNH2EGFRPDCD1LG2CD274
SCHEMBL24233675 0.81 PTPN11 (0.71) PTPN11KCNH2EGFRPDCD1LG2CD274
SCHEMBL25514430 0.81 PTPN11 (0.48) PTPN11KCNH2EGFRCHRM4
SCHEMBL24282660 0.81 PTPN11 (0.50) PTPN11KCNH2EGFRCHRM4PLAU
SCHEMBL19785445 0.80 PTPN11 (0.52) PTPN11KCNH2EGFR
SCHEMBL21115041 0.80 PTPN11 (0.52) PTPN11KCNH2EGFR
SCHEMBL24233630 0.80 PTPN11 (0.58) PTPN11KCNH2EGFRPDCD1LG2CD274
SCHEMBL24233624 0.80 PTPN11 (0.43) PTPN11KCNH2EGFRCYP11B1CYP11B2
SCHEMBL24233642 0.80 PTPN11 (0.51) PTPN11KCNH2EGFRCYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220031695-A1 SHP2 INHIBITOR COMPOSITIONS FOR USE IN TREATING CANCER PTPN18, PTPN7, PTPN1 PTPN11 14/4885KCNH2 4775/4885EGFR 116/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.